SCHEMBL4083916

SCHEMBL4083916

CCC(O)CNC(=O)c1[c]cccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.38
ACSS2 Q9NR19 1/20 0.37
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CNR2 P34972 1/20 0.36
GAA P10253 2/20 0.35
PKM P14618 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PRMT5 O14744 2/20 0.34
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6950034 0.86 KDM4E (0.45) BACE1ACSS2ALDH1A1LMNANPC1
SCHEMBL4983838 0.83 KMT2A (0.51) ALDH1A1LMNASMN1; SMN2GAACYP1A2
SCHEMBL97054 0.80 KMT2A (0.43) ALDH1A1LMNANPC1HTTGAA
SCHEMBL6763532 0.79 NPC1 (0.62) LMNANPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL3982704 0.78 TSHR (0.46) ALDH1A1NPC1RAB9AHTTSMN1; SMN2
SCHEMBL5965196 0.75 TSHR (0.60) RAB9AHTTSMN1; SMN2KMT2A
SCHEMBL5006927 0.74 NAAA (0.58) ALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL3838499 0.73 HPGD (0.37) ALDH1A1LMNAGAAKMT2AHSD17B10
SCHEMBL3764584 0.73 CTSL (0.43)
SCHEMBL21461953 0.73 MEN1 (0.41) ALDH1A1SMN1; SMN2GAAKMT2AKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2059516-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (publ) (SE) 2009-05-20 EP claimed
US-20080103123-A1 New compounds BIOVITRUM (SE) 2008-05-01 US claimed
WO-2008025798-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO claimed
EP-2059516-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (publ) (SE) 2009-05-20 EP disclosed
US-20080103123-A1 New compounds BIOVITRUM (SE) 2008-05-01 US disclosed
WO-2008025798-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080103123-A1 New compounds GPR119, GPR139, GPR180 BACE1 1455/4885ACSS2 2536/4885ALDH1A1 1431/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.